N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(3-pyridylsulfonyl)isonipecotamide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)OCO2

InChI

InChI=1S/C20H21N3O6S/c1-13(24)16-9-18-19(29-12-28-18)10-17(16)22-20(25)14-4-7-23(8-5-14)30(26,27)15-3-2-6-21-11-15/h2-3,6,9-11,14H,4-5,7-8,12H2,1H3,(H,22,25)